3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide

C14H20ClNO3S — CID 95632333

IUPAC3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
SMILESO=C(CCc1ccc(Cl)s1)NC[C@H](O)C1CCOCC1
InChIInChI=1S/C14H20ClNO3S/c15-13-3-1-11(20-13)2-4-14(18)16-9-12(17)10-5-7-19-8-6-10/h1,3,10,12,17H,2,4-9H2,(H,16,18)/t12-/m0/s1
InChIKeySBUCIDMZGOUKBZ-LBPRGKRZSA-N
MW317.84 g/mol
LogP2.24
Rot. Bonds6

About 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide

3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide (PubChem CID 95632333) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
PubChem CID95632333
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide
SMILESO=C(CCc1ccc(Cl)s1)NC[C@H](O)C1CCOCC1
InChIInChI=1S/C14H20ClNO3S/c15-13-3-1-11(20-13)2-4-14(18)16-9-12(17)10-5-7-19-8-6-10/h1,3,10,12,17H,2,4-9H2,(H,16,18)/t12-/m0/s1
InChIKeySBUCIDMZGOUKBZ-LBPRGKRZSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652311
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3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
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3-(5-chlorothiophen-2-yl)-N-(2-methylsulfonylethyl)propanamide
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N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
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3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60511690
3-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120948373
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
2-[(5-chlorothiophen-2-yl)methylamino]-1-cyclopentylethanol
CID 111425399
N-(4-aminocyclohexyl)-3-(5-chlorothiophen-2-yl)propanamide
CID 119475922
oxolan-3-yl 3-(5-chlorothiophen-2-yl)propanoate
CID 56803396

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide (CID 95632333) is 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide is O=C(CCc1ccc(Cl)s1)NC[C@H](O)C1CCOCC1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide?
The InChIKey is SBUCIDMZGOUKBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c15-13-3-1-11(20-13)2-4-14(18)16-9-12(17)10-5-7-19-8-6-10/h1,3,10,12,17H,2,4-9H2,(H,16,18)/t12-/m0/s1.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide?
3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide has a molecular weight of 317.84 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[(2R)-2-hydroxy-2-(oxan-4-yl)ethyl]propanamide is sourced from PubChem (CID 95632333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).